[2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine

C13H20F3N5 — CID 65045059

IUPAC[2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N5/c1-9-3-2-4-12(9,8-17)20-5-6-21-10(7-20)18-19-11(21)13(14,15)16/h9H,2-8,17H2,1H3
InChIKeyUUAWJIQTEFCRCW-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.63
Rot. Bonds2

About [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine

[2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine (PubChem CID 65045059) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine
PubChem CID65045059
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name[2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N5/c1-9-3-2-4-12(9,8-17)20-5-6-21-10(7-20)18-19-11(21)13(14,15)16/h9H,2-8,17H2,1H3
InChIKeyUUAWJIQTEFCRCW-UHFFFAOYSA-N
XLogP1.63
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine?
The IUPAC name of [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine (CID 65045059) is [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine is CC1CCCC1(CN)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine?
The InChIKey is UUAWJIQTEFCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-9-3-2-4-12(9,8-17)20-5-6-21-10(7-20)18-19-11(21)13(14,15)16/h9H,2-8,17H2,1H3.
What are the key properties of [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine?
[2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine has a molecular weight of 303.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine is sourced from PubChem (CID 65045059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).